2-chloroprop-1-en-1-amine

C3H6ClN — CID 151379752

IUPAC2-chloroprop-1-en-1-amine
SMILESCC(Cl)=CN
InChIInChI=1S/C3H6ClN/c1-3(4)2-5/h2H,5H2,1H3
InChIKeyOSDVUFNWVAKMOD-UHFFFAOYSA-N
MW91.54 g/mol
LogP1.05
Rot. Bonds

About 2-chloroprop-1-en-1-amine

2-chloroprop-1-en-1-amine (PubChem CID 151379752) has the molecular formula C3H6ClN and a molecular weight of 91.54 g/mol. Its IUPAC name is 2-chloroprop-1-en-1-amine.

Molecular Properties

Compound Name2-chloroprop-1-en-1-amine
PubChem CID151379752
Molecular FormulaC3H6ClN
Molecular Weight91.54 g/mol
Exact Mass91.02
IUPAC Name2-chloroprop-1-en-1-amine
SMILESCC(Cl)=CN
InChIInChI=1S/C3H6ClN/c1-3(4)2-5/h2H,5H2,1H3
InChIKeyOSDVUFNWVAKMOD-UHFFFAOYSA-N
XLogP1.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.54
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-1-en-1-amine?
The IUPAC name of 2-chloroprop-1-en-1-amine (CID 151379752) is 2-chloroprop-1-en-1-amine.
What is the SMILES notation for 2-chloroprop-1-en-1-amine?
The canonical SMILES for 2-chloroprop-1-en-1-amine is CC(Cl)=CN.
What is the InChIKey of 2-chloroprop-1-en-1-amine?
The InChIKey is OSDVUFNWVAKMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClN/c1-3(4)2-5/h2H,5H2,1H3.
What are the key properties of 2-chloroprop-1-en-1-amine?
2-chloroprop-1-en-1-amine has a molecular weight of 91.54 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-1-en-1-amine is sourced from PubChem (CID 151379752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).